UCSF

ZINC35263915

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 36 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.17 13.05 -63.23 0 6 -1 83 475.524 8
Lo Low (pH 4.5-6) 4.17 12.3 -16.02 1 6 0 80 476.532 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )